Workunit 31589600
| name | shp2_A03_A13_r0_2-QUICO_ATM_OpenFF23_NAGL_shp2-0-6-RND8727 |
| application | ATM: Free energy calculations of protein-ligand binding |
| created | 7 May 2026, 10:33:24 UTC |
| minimum quorum | 1 |
| initial replication | 1 |
| max # of error/total/success tasks | 7, 10, 6 |
| errors | Too many errors (may have bug) |
| Task click for details | Computer | Sent | Time reported or deadline explain | Status | Run time (sec) | CPU time (sec) | Credit | Application |
|---|---|---|---|---|---|---|---|---|
| 38642979 | 550955 | 7 May 2026, 10:33:32 UTC | 7 May 2026, 10:39:13 UTC | Error while computing | 78.99 | 2.16 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38643039 | 652361 | 7 May 2026, 10:39:25 UTC | 7 May 2026, 11:29:25 UTC | Error while computing | 2,508.64 | 2,500.39 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) x86_64-pc-linux-gnu |
| 38643241 | 624991 | 7 May 2026, 11:29:32 UTC | 7 May 2026, 12:37:46 UTC | Error while computing | 153.20 | 135.25 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38643338 | 580989 | 7 May 2026, 12:38:00 UTC | 7 May 2026, 21:15:51 UTC | Error while computing | 5,577.60 | 5,266.56 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38643850 | 602451 | 7 May 2026, 21:15:57 UTC | 7 May 2026, 23:41:53 UTC | Error while computing | 8,662.25 | 8,455.92 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38643954 | 591854 | 7 May 2026, 23:42:00 UTC | 8 May 2026, 0:43:50 UTC | Error while computing | 3,591.59 | 3,348.80 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38643991 | 648092 | 8 May 2026, 0:44:00 UTC | 8 May 2026, 0:44:17 UTC | Aborted | 0.00 | 0.00 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38643992 | 506550 | 8 May 2026, 0:44:26 UTC | 8 May 2026, 2:18:35 UTC | Error while computing | 4,121.92 | 4,121.92 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38644054 | 650130 | 8 May 2026, 2:18:40 UTC | 8 May 2026, 2:35:48 UTC | Error while computing | 920.90 | 820.22 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
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